N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide

C7H16N2O3S — CID 106297838

IUPACN-[4-(aminomethyl)oxan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C7H16N2O3S/c1-13(10,11)9-7(6-8)2-4-12-5-3-7/h9H,2-6,8H2,1H3
InChIKeyJPDAIYCBTFFXEB-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.96
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide

N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide (PubChem CID 106297838) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]methanesulfonamide
PubChem CID106297838
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C7H16N2O3S/c1-13(10,11)9-7(6-8)2-4-12-5-3-7/h9H,2-6,8H2,1H3
InChIKeyJPDAIYCBTFFXEB-UHFFFAOYSA-N
XLogP-0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-1,1-difluoromethanesulfonamide
CID 106297808
N-[3-(aminomethyl)pentan-3-yl]oxane-4-sulfonamide
CID 62048062
N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide
CID 62048246
N-[(oxan-4-yl)methyl]methanesulfonamide
CID 62352435
N-[1-(oxan-4-yl)ethyl]methanesulfonamide
CID 103768615
4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine
CID 106297703
N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide
CID 106297737
N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide
CID 106297739
N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide
CID 106297741
4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
CID 106297746
N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide
CID 106297750
N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide
CID 106297752

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide (CID 106297838) is N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide is CS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide?
The InChIKey is JPDAIYCBTFFXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-13(10,11)9-7(6-8)2-4-12-5-3-7/h9H,2-6,8H2,1H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide?
N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide is sourced from PubChem (CID 106297838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).